D043-0233 Screening compound: N-[(2-ethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

D043-0233 Screening compound: N-[(2-ethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
D043-0233 Screening compound: N-[(2-ethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D043-0233
N-[(2-ethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D043-0233

Molecular Formula

C16H19N5O (C16 H19 N5 O)

Compound Name

N-[(2-ethoxyphenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

IUPAC name

N-[(2-ethoxyphenyl)methyl]-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-amine

SMILES

CCOc1c(CNc2nn3c(C)cc(C)nc3n2)cccc1

InChI

InChI=1S/C16H19N5O/c1-4-22-14-8-6-5-7-13(14)10-17-15-19-16-18-11(2)9-12(3)21(16)20-15/h5-9H,4,10H2,1-3H3,(H,17,20)

InChI Key

MAEKGARTXSWHSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07392263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.428

Distribution Coefficient, logD

2.423

Water Solubility, LogSw

-2.54

Polar Surface Area

49.409

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

D043-0233 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D043-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D043-0233?
Check Price and Availability of D043-0233, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D043-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D043-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D043-0233
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D043-0233 available by request